ID,SMILES,Blood_Brain_Barrier_Penetration-Human
1,c12c(c(ccc1)Cl)C(N(Cc1n2cnc1c1nc(on1)[C@](CO)(C)O)C)=O,non-penetrating
2,NCCc1cn2c(n1)cccc2,non-penetrating
3,CCCN(CCC)CCc1ccc(c2c1CC(N2)=C)O,penetrating
4,c1(c2c(cc(F)cc2)on1)C1CCN(CCc2c(n3c([C@@H](CCC3)O)nc2C)=O)CC1,penetrating
5,c12c(C(c3ccccc3)=NCc3n1c(nn3)C)cc(Cl)cc2,penetrating
6,C1(\c2c(CCc3c1cccc3)cccc2)=C\CCN(C)C,penetrating
7,c12c(ncnc1O)[nH]nc2,penetrating
8,n1(c2ccccc2)n(c(C)cc1=O)C,penetrating
9,c1(c(cccc1)OC(C)=O)C(O)=O,penetrating
10,N(C(NCCCl)=O)(CCCl)N=O,penetrating
11,c12c(n(c(=O)n(c1=O)C)C)ncn2C,penetrating
12,N1(c2c(cccc2)C=Cc2c1cccc2)C(N)=O,penetrating
13,c1(N(CCCl)CCCl)ccc(CCCC(O)=O)cc1,non-penetrating
14,N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN(C)C,penetrating
15,c1(c([nH]cn1)C)CSCCN\C(=[NH]\C#N)NC,non-penetrating
16,c1(NC=2NCCN2)c(cccc1Cl)Cl,penetrating
17,c12[C@]34[C@@H]5[C@H]([N@@](C)CC4)Cc2ccc(c1O[C@H]3[C@@H](O)C=C5)OC,penetrating
18,N1(c2c(CCc3c1cccc3)cccc2)CCCNC,penetrating
19,n1(c2c(c(ncn2)O)nc1)[C@@H]1O[C@H](CO)CC1,non-penetrating
20,n1(c2c(cc(Cl)cc2)[nH]c1=O)C1CCN(CCCn2c3c(cccc3)[nH]c2=O)CC1,penetrating
21,N1([C@@H](c2ccc(Cl)cc2)c2ccccc2)CCN(CCOCCO)CC1,penetrating
22,c1([C@@H](C(O)=O)C)ccc(CC(C)C)cc1,penetrating
23,c1c(c(ncc1)CCCCNc1nc(c(c[nH]1)Cc1ccc(nc1)C)=O)OC,non-penetrating
24,N1(c2c(CCc3c1cccc3)cccc2)CCCN(C)C,penetrating
25,c12c(c(CC(O)=O)c(n1C(c1ccc(Cl)cc1)=O)C)cc(OC)cc2,non-penetrating
26,c12c(C(N(Cc3n1cnc3c1noc(n1)C(C)C)C)=O)c(ccc2)Cl,penetrating
27,CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3ccc(C)nc3)c[nH]2)o1,non-penetrating
28,N(c1ccccn1)(Cc1ccc(OC)cc1)CCN(C)C,penetrating
29,N12[C@H](c3c(cccc3)Cc3c1cccc3)C[N@](C)CC2,penetrating
30,c12c(C(c3c(cccc3)F)=NCc3n1c(nc3)C)cc(Cl)cc2,penetrating
31,N12[C@H](c3c(cccc3)Cc3c1nccc3)C[N@](C)CC2,penetrating
32,N1(c2c(NC(c3c1nccc3)=O)c(ccn2)C)C1CC1,penetrating
33,C1NCCN(C1)c1ccc(c(n1)Cl)C(F)(F)F,penetrating
34,c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CNC1,penetrating
35,c1c2c(ccc1)[C@@]1([C@@H](c3cccc(c3O2)C)CNCC1)O,penetrating
36,c1ccc(c(c1)[C@H](CC=C)N)c1c2c(on1)cccc2,penetrating
37,c1c2c(ccc1)[C@@]1([C@@H](c3cccc(c3O2)C)C[N@](CC1)C)O,penetrating
38,c1c2c(cc(c1)Cl)[C@@H]1[C@H](c3ccccc3O2)CN(C1)C,penetrating
39,c12C(c3ccccc3)=N[C@H](O)C(Nc1ccc(c2)Cl)=O,penetrating
40,c1(oc([CH2+]SCCN\C(=C\[N+](=O)[O-])NC)cc1)CN(C)C,non-penetrating
41,c1(c2c(cc(F)cc2)on1)C1CCN(CCc2c(n3c(CCCC3)nc2C)=O)CC1,penetrating
42,C1(C(NC(=[O-])NC1=O)=O)([C@H](CCC)C)[CH-]C,penetrating
43,c12[C@]3([C@H]([N@](C)CC3)N(c1ccc(c2)OC(Nc1ccccc1)=O)C)C,penetrating
44,c12[C@]3([C@@H](N(C)c1ccc(c2)OC(NC)=O)[N@](C)CC3)C,penetrating
45,N1(c2c(Sc3c1cccc3)cccc2)CCCN(C)C,penetrating
46,c1(c(cccc1)O)C(O)=O,non-penetrating
47,c1c(c(ncc1Br)CCCCNc1nc(c(c[nH]1)Cc1ccc(nc1)C)=O)C,non-penetrating
48,c12c(n(c(=O)n(c1=O)C)C)nc[nH]2,penetrating
49,N1(c2c(Sc3c1cccc3)ccc(c2)SC)CC[C@H]1[N@@](CCCC1)C,penetrating
50,C1[C@H]2[C@H]3[C@@H](C4=C(CC(=O)CC4)C[C@H]3C)CC[C@@]2([C@@](C#C)(O)C1)C,penetrating
51,c1(nc(NC(N)=[NH2])sc1)CSCCN\C(=[NH]\C#N)NC,penetrating
52,C(CCC)(CCC)C(=O)[O-],penetrating
53,c1([C@](CCC[N@](CCc2cc(c(OC)cc2)OC)C)(C(C)C)C#N)cc(c(OC)cc1)OC,penetrating
54,C1CN(CCC1)Cc1cccc(c1)OCCCNc1nc2c(s1)cccc2,penetrating
55,n12c3c(C(c4c(cccc4)F)=NCc1cnc2CO)cc(Cl)cc3,penetrating
56,C(C)(Cl)(Cl)Cl,penetrating
57,C(CCl)(F)(F)F,penetrating
58,CC(CCC)C,penetrating
59,CC(CO)C,penetrating
60,CC(CC)(C)C,penetrating
61,CC[C@H](CCC)C,penetrating
62,CCC(CC)C,penetrating
63,c12c(C(c3c(cccc3)F)=N[C@@H](c3n1c(nc3)C)O)cc(Cl)cc2,penetrating
64,c1c(NC(C)=O)ccc(O)c1,penetrating
65,n1(c2ccccc2)c(c(N(C)C)c(n1C)C)=O,penetrating
66,C1(C(NC(=O)NC1=O)=O)(CCC(C)C)CC,penetrating
67,c1(ccc(CC(N)=O)cc1)OC[C@@H](CNC(C)C)O,non-penetrating
68,c1ccccc1,penetrating
69,c12n(c3c(c(ccc3)Br)C(N3[C@H]1CCC3)=O)cnc2C(OC(C)(C)C)=O,penetrating
70,c1(C2(CCN(CCCC(c3ccc(F)cc3)=O)CC2)O)ccc(Br)cc1,penetrating
71,CCC(C)=O,penetrating
72,c12N(c3ccccc3)C(CC(N(c1ccc(c2)Cl)C)=O)=O,penetrating
73,C1CCCCC1,penetrating
74,C1CC1,penetrating
75,N1(c2c(CCc3c1cccc3)cccc2)CCCN,penetrating
76,C=1(c2c(N(C)C(CN1)=O)ccc(c2)Cl)c1ccccc1,penetrating
77,C(Cl)Cl,penetrating
78,CCOCC,penetrating
79,C=COC=C,penetrating
80,C([C@@H](F)Cl)(OC(F)F)(F)F,penetrating
81,C(C)O,penetrating
82,c1(ccccc1)CC,penetrating
83,n12c3c(C(=O)N(Cc1c(C(OCC)=O)nc2)C)cc(F)cc3,penetrating
84,c12C(c3c(cccc3)F)=[NH+]CC(N(c1ccc(c2)[N+](=O)[O-])C)=O,penetrating
85,c12N(c3c(cccc3)Sc1ccc(c2)C(F)(F)F)CCCN1CCN(CCO)CC1,penetrating
86,C(COC=C)(F)(F)F,penetrating
87,c1(C2(CCN(CCCC(c3ccc(F)cc3)=O)CC2)O)ccc(Cl)cc1,penetrating
88,C([C@@H](Cl)Br)(F)(F)F,penetrating
89,CCCCCCC,penetrating
90,CCCCCC,penetrating
91,C=1([C@]2(C(N(C(=O)NC2=O)C)=O)C)CCCCC1,penetrating
92,c12ccccc2C[C@H]([C@H]1NC([C@H](Cc1ccccc1)C[C@@H](CN1[C@@H](C[N@](Cc2cccnc2)CC1)C(NC(C)(C)C)=O)O)=O)O,penetrating
93,C([C@H](OC(F)F)Cl)(F)(F)F,penetrating
94,c12N(c3c(cccc3)Sc1ccc(c2)[S@@](C)=O)CC[C@H]1[N@@](CCCC1)C,penetrating
95,C1([C@](C(NC(N1C)=[O-])=O)([C@@H](C#CCC)C)CC=C)=[O-],penetrating
96,C(C(Cl)Cl)(OC)(F)F,penetrating
97,C1(CCCC1)C,penetrating
98,c12c3c(ccc1C[C@@H]1[C@@H]4C=C[C@@H]([C@@H]([C@]24CC[N@@]1C)O3)O)O,penetrating
99,N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCNC,penetrating
100,N1(c2c(Sc3c1cccc3)ccc(c2)Cl)CCCN,penetrating
101,N1(c2c(Sc3c1cccc3)ccc(c2)SC)CC[C@H]1NCCCC1,penetrating
102,C1N(CCN(C1)c1cc(ccn1)C(F)(F)F)CCCCN1C(CCC1)=O,penetrating
103,O=c1c2c([nH]c(=O)n1C)ncn2C,penetrating
104,CCCCC,penetrating
105,N1(N(c2ccccc2)C(=O)C(C1=O)CCCC)c1ccccc1,penetrating
106,c1([C@@]2(c3ccccc3)NC(=[O-])NC2=O)cccc[c-]1,penetrating
107,CCCO,penetrating
108,CC(C)=O,penetrating
109,c12c(OC[C@@H](CNC(C)C)O)cccc1cccc2,penetrating
110,c12c([C@@H]([C@@H]3[N@@]4C[C@H](C=C)[C@H](C3)CC4)O)ccnc1ccc(c2)OC,penetrating
111,c1c2c(sc1)C(N(Cc1n2cnc1C(=O)OC(C)(C)C)C)=O,penetrating
112,C1C(Nc2c1c(ccc2)CCN(CCC)CCC)=O,penetrating
113,C1C(Nc2c1c(ccc2O)CCN(CCC)CCC)=O,penetrating
114,N(C(=O)c1c(O)cccc1)CC(=O)O,penetrating
115,C[N@@]1CCCC[C@H]1CCN1c2ccccc2Sc2ccc(cc12)S(C)(=O)=O,penetrating
116,C([C@@H](F)Br)C(F)(F)F,penetrating
117,c12c(c([nH]c(n1C)=O)=O)n(C)cn2,penetrating
118,C1(C(C(NC(N1)=S)=O)([C@@H](CCC)C)CC)=O,
119,c1(ccccc1)C,penetrating
120,c12c(C(c3c(cccc3)Cl)=NCc3n1c(nn3)C)cc(Cl)cc2,penetrating
121,c12N(c3c(cccc3)Sc1ccc(c2)C(F)(F)F)CCCN1CCN(C)CC1,penetrating
122,C(=C\Cl)(\Cl)Cl,penetrating
123,C(Cl)(Cl)Cl,penetrating
124,c1c(nccc1)CCNC,penetrating
125,c1c(nccc1)CCN(C)C,penetrating
126,n1c(scc1)CCN,penetrating
127,n1c(scc1c1ccccc1)CCN,non-penetrating
128,c1c(nc2n1cccc2)CCN,non-penetrating
129,n1([C@H]2C[C@H](N=[N+]=N)[C@H](O2)CO)c([nH]c(=O)c([cH+]1)C)=O,penetrating
130,c1c(cccc1C)C,penetrating
131,c1(c(cccc1)C)C,penetrating
132,c1(ccc(C)cc1)C,penetrating
133,CC(C)O,penetrating
134,c12[C@@H]3[C@@H](c4c(cccc4)N(c1cccc2)C(N)=O)O3,penetrating
135,c12c(nc(c(c1C(N[C@@H](CC)c1ccccc1)=O)C)c1ccccc1)cccc2,
136,c1cc(ccc1CCCC(OC(C)(C)C)=O)N(CCCl)CCCl,
137,C(=C)(Cl)(Cl)Cl,penetrating
138,c1(ncccc1NC(C)C)N1CCN(C(c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)=O)CC1,non-penetrating
139,C(c1ccccc1)(c1ccccc1)OC1CCN(CCCC(c2ccc(C(C)(C)C)cc2)=O)CC1,non-penetrating
140,N1(c2c(NC(c3c1cccc3)=O)cccn2)C(CN1CCN(C)CC1)=O,penetrating
141,c12c(Sc3c(N1C[C@@H](N(C)C)C)cccc3)cccc2,
142,s1cc(CSCCN\C(NC)=[NH]\C#N)nc1\[NH]=C(\N)N,penetrating
143,c1cc(c2nc(sc2)CCN)ccc1,non-penetrating
144,c1cc(CCNC)ncc1,penetrating
145,c1cc(CCN(C)C)ncc1,penetrating
146,s1c(ncc1)CCN,penetrating
147,c1nc(C2CCN(CC2)C(NC2CCCCC2)=S)c[nH]1,penetrating
148,c1ccc2Oc3c(cc(cc3)Cl)[C@@H]3[C@@H](c2c1)C[N@](CC3)C,penetrating
149,c1c(Cl)nc(N2CCN(CCCCN3C(CCC3)=O)CC2)cc1C(F)(F)F,penetrating
150,c1ccc2Oc3c(cc(cc3)Cl)[C@@H]3[C@@H](c2c1)CNCC3,penetrating
151,c1c(c(ncc1)CSCCN\C(=[NH]\C#N)NCC)Br,non-penetrating
152,c1cc(ncc1)CSCCNc1c(cc[nH]1)[N+](=O)[O-],penetrating
153,c1(cc(nc(c1C)C)C(SC(CNc1c(cc[nH]1)[N+](=O)[O-])(C)C)(C)C)C,penetrating
154,n1c(csc1\[NH]=C(\N)N)c1ccccc1,penetrating
155,n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N,non-penetrating
156,n1c(csc1\[NH]=C(\N)N)c1cccc(c1)NC(C)=O,non-penetrating
157,n1c(csc1\[NH]=C(\N)N)c1cccc(c1)N\C(NC)=[NH]\C#N,non-penetrating
158,s1cc(nc1\[NH]=C(\N)N)C,penetrating
159,c1(c(oc(c1C)C(N(C(C)(N)C)C(N)(C)C)(C)C)C)C.C[NH+]O.[OH-],penetrating
160,[NH]C(CC(C)C([N@@](C(C)(C)C)C(N)(C)N)(C)C)c1c(c(c[nH+][o+]1)C)[O-],penetrating
161,C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)C,penetrating
162,C1CN(CCC1)Cc1cccc(c1)OCCCNC(=O)c1ccccc1,penetrating
163,C1CN(CCC1)Cc1cccc(c1)OCCCO,penetrating
164,C1CN(CCC1)Cc1cccc(c1)OCCCNc1ncccc1,penetrating
165,C1CN(CCC1)Cc1cccc(c1)OCCCNc1nccs1,penetrating
166,C1CN(CCC1)Cc1cccc(c1)OCCCNc1nc2c(o1)cccc2,penetrating
167,c1c(oc(c1)CN(C)C)CSCCNc1nc(c(c[nH]1)Cc1cc2c(cc1)cccc2)=O,non-penetrating
168,CN(C)Cc1oc(cc1)CSCCNC=1NC=C(CN1)Cc1cnc(cc1)C,non-penetrating
169,c1(nccc(c1)c1nc([nH]n1)N)N(C)C,non-penetrating
170,n1(c(c2nc[nH]c2n(c1=O)C)=O)C,penetrating
171,c1c2CCOc2c(cc1OC)CN[C@@H]1CCCN[C@H]1c1ccccc1,penetrating
172,c1(cc(N\C(=[NH]\c2cccc(c2)CC)C)ccc1)CC,penetrating
173,c1(c(cc2n(ncc2c1)CCN)Cl)Cl,penetrating
174,c12c(n([C@@H]3C[C@H](CO)C=C3)cn2)nc(N)nc1NC1CC1,penetrating
175,c1(c(cc(NC(CCC)=O)cc1)C(C)=O)OC[C@@H](CNC(C)C)O,penetrating
176,c12c(ncn1COCCO)c([nH]c(n2)N)=O,penetrating
177,c12c(nc([nH]1)NC(OC)=O)cc(SCCC)cc2,penetrating
178,C12(CC3CC(C1)CC(C2)C3)N,penetrating
179,c1(ccccc1)C[C@H](C)N,penetrating
180,S(CCNCCCN)P(O)(O)=O,non-penetrating
181,O([C@H]1[C@@H](C[C@H](N)[C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CN)NC([C@H](CCN)O)=O)[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)N)CO,penetrating
182,c1(c(cc(N)cc1)O)C(O)=O,non-penetrating
183,n1([C@@H]2O[C@H](CO)[C@H]([C@H]2O)O)c(nc(N)cc1)=O,penetrating
184,c1(c(nc[nH]1)C(N)=O)\N=N\N(C)C,penetrating
185,c12c([C@H](C[C@@](C2)(C(C)=O)O)O[C@H]2C[C@@H]([C@H](O)[C@@H](O2)C)N)c(c2C(c3c(cccc3C(c2c1O)=O)OC)=O)O,non-penetrating
186,C1[C@@H]2[C@](C(=C3C(c4c(ccc(c4[C@H]([C@@H]13)O)Cl)O)=O)O)(C(C(C(N)=O)=C([C@H]2N(C)C)O)=O)O,non-penetrating
187,Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1,penetrating
188,C=1(c2c(NC(CN1)=O)ccc(c2)Cl)c1ccccc1,penetrating
189,N1(c2c(Sc3c1cccc3)cccc2)CCCNC,penetrating
190,N1(C[C@@H](N2CC(NC(C2)=O)=O)C)CC(NC(C1)=O)=O,non-penetrating
191,c12[C@@]34[C@@H]([C@H]([N@@](C)CC3)Cc1ccc(c2)OC)CCCC4,penetrating
192,N12[C@]([C@@H]3CCCN3C([C@@H]1Cc1ccccc1)=O)(OC(NC([C@@H]1C[C@@H]3c4c5c(c[nH]c5ccc4)C[C@H]3[N@@](C1)C)=O)(C)C2=O)O,non-penetrating
193,N(C(SSC(N(CC)CC)=S)=S)(CC)CC,penetrating
194,c12c([C@H](C[C@@](C2)(C(CO)=O)O)O[C@H]2C[C@@H]([C@H](O)[C@@H](O2)C)N)c(c2C(c3c(cccc3C(c2c1O)=O)OC)=O)O,non-penetrating
195,C=1([C@]2([C@H]([C@@H](C(O)=C(C2=O)C(N)=O)N(C)C)[C@H]([C@@H]2[C@H](c3cccc(c3C(C12)=O)O)C)O)O)O,penetrating
196,c12[C@](C#CC3CC3)(OC(=O)Nc1ccc(c2)Cl)C(F)(F)F,non-penetrating
197,N1([C@@H](CCC1)C(O)=O)C([C@@H](N[C@@H](CCc1ccccc1)C(OCC)=O)C)=O,non-penetrating
198,c1(cc(c(O)cc1)O)[C@H](CNC)O,non-penetrating
199,c1(c(c(c(OCC(O)=O)cc1)Cl)Cl)C(C(CC)=C)=O,non-penetrating
200,N([C@H](CC)CO)CCN[C@H](CC)CO,non-penetrating
201,c1(cc(ncc1)CC)C(N)=S,penetrating
202,C1([C@@](CC(=O)N1)(CC)C)=O,penetrating
203,c12[C@H]([C@@H]3[C@H](COC3=O)[C@@H](c1cc1OCOc1c2)O[C@@H]1O[C@H]2[C@@H](O[C@H](C)OC2)[C@@H]([C@H]1O)O)c1cc(c(O)c(c1)OC)OC,non-penetrating
204,c1(nc(CSCC\C(=[NH]\S(N)(=O)=O)N)cs1)\[NH]=C(\N)N,penetrating
205,c1(C(Cn2cncn2)(Cn2cncn2)O)c(cc(F)cc1)F,penetrating
206,P(C(=O)O)(=O)(O)O,penetrating
207,C1(CC(O)=O)(CCCCC1)CN,penetrating
208,N12[C@@H]([C@@H](NC(c3c4c(ccc3OCC)cccc4)=O)[C-]2=O)SC([C@@H]1C(=O)O)(C)C,non-penetrating
209,c12c(c(c(C(O)=O)cn1CC)=O)ccc(n2)C,non-penetrating
210,C1[C@@H]2CCCC[C@@H]2C[N@](C[C@H]([C@@H](NC(c2c(c(ccc2)O)C)=O)CSc2ccccc2)O)[C@@H]1C(NC(C)(C)C)=O,non-penetrating
211,N1(c2c(Sc3c1cccc3)ccc(c2)SC)CC[C@H]1NCCCC1,non-penetrating
212,c12c([nH]c(n1)[S@@](Cc1c(c(c(C)cn1)OC)C)=O)ccc(c2)OC,non-penetrating
213,N12[C@@H]([C@@H](NC(c3c(c4ccccc4)noc3C)=O)[C-]2=O)SC([C@@H]1C(=O)O)(C)C,non-penetrating
214,c1(ccc(O)cc1)NC(C)=O,penetrating
215,c12[C@]3([C@H]([C@H]([N@@](C\C=C(\C)C)CC3)Cc1ccc(c2)O)C)C,penetrating
216,n1(c2c([C@@H](CNC=N2)O)nc1)[C@@H]1O[C@H](CO)C(C1)O,penetrating
217,C1(c2ccccc2)(C(OCC)=O)CCN(C)CC1,penetrating
218,c1(c(nc(N)cc1)N)\N=N\c1ccccc1,non-penetrating
219,C1(c2ccccc2)(C(NC(=O)NC1=O)=O)CC,penetrating
220,N12[C@@H]([C@@H](NC(COc3ccccc3)=O)[C-]2=O)SC([C@@H]1C(=O)O)(C)C,non-penetrating
221,c12c([nH]cc2)cccc1OC[C@@H](CNC(C)C)O,penetrating
222,c12c(C[C@@H]([C@@H](C([C@H]([C@@H](C)O)O)=O)OC)[C@@H](C1=O)OC1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@]([C@H](O)[C@H](O4)C)(C)O)[C@H](O)[C@H](O3)C)[C@H](O)[C@H](O1)C)cc1cc(O[C@H]3C[C@@H](O[C@H]4C[C@H]([C@H](O)[C@H](O4)C)O)[C@@H](O)[C@H](O3)C)c(c(c1c2O)O)C,penetrating
223,C=12[C@@H]([C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)[C@H](C[C@@H](O)C1)OC([C@H](CC)C)=O,non-penetrating
224,c12[C@@H]3N(C(CN(C3)C(C3CCCCC3)=O)=O)CCc1cccc2,penetrating
225,c1(S(N(CCC)CCC)(=O)=O)ccc(C(O)=O)cc1,non-penetrating
226,c1(Cc2c(nc(N)nc2)N)cc(c(OC)c(c1)OC)OC,penetrating
227,c12c(ccc(CNc3cc(c(OC)c(c3)OC)OC)c1C)nc(N)nc2N,non-penetrating
228,C(CO)(CO)(CO)N,non-penetrating
229,c12n(c3c(cc(F)cc3)F)cc(C(O)=O)c(c1cc(F)c(n2)N1C[C@@H]2C(N)[C@H]2C1)=O,penetrating
230,C(N)(N)=O,penetrating
231,C=1(C2CCC(c3ccc(Cl)cc3)CC2)C(c2c(cccc2)C(C1O)=O)=O,non-penetrating
232,C1(C[C@@H]2N(C)[C@H](C1)CC2)OC([C@H](c1ccccc1)CO)=O,penetrating
233,C(CCCCCCCC(O)=O)(O)=O,non-penetrating
234,O([C@H]1[C@@H]([C@@H](O[C@@H]2C[C@]([C@@H](O)[C@@H](O2)C)(OC)C)[C@@H](C(O[C@@H]([C@](C)(O)C([C@H]([N@@](C[C@@H](C[C@@]1(C)O)C)C)C)O)CC)=O)C)C)[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C)O,non-penetrating
235,C([C@@H]1C(N[C@@H](Cc2c[nH]cn2)C(N[C@@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N1)=O)[C@H](CC)C)=O)CCCN)=O)CCCCNC([C@@H](NC([C@H](NC([C@@H](NC([C@H]1N=C([C@@H]([C@@H](CC)C)N)SC1)=O)CC(C)C)=O)CCC(O)=O)=O)[C@H](CC)C)=O)CC(N)=O)=O)CC(O)=O)=O)=O)c1ccccc1,non-penetrating
236,C([N+](C)(C)C)[C@@H](OC(N)=O)C,non-penetrating
237,c1(c(cccc1)Br)C[N+](CC)(C)C,non-penetrating
238,N12[C@](C3N(CCC3)C([C@@H]2CC(C)C)=O)(O[C@](C1=O)(NC([C@@H]1C=C2c3c4c(c(Br)[nH]c4ccc3)C[C@H]2[N@@](C1)C)=O)C(C)C)O,non-penetrating
239,c12[C@]34[C@@]56[C@H]([N@@](CC7CC7)CC4)Cc2ccc(c1O[C@H]3[C@](OC)([C@H](C5)[C@](C(C)(C)C)(C)O)CC6)O,penetrating
240,c1(C([C@@H](NC(C)(C)C)C)=O)cc(ccc1)Cl,penetrating
241,O(S(C)(=O)=O)CCCCOS(C)(=O)=O,penetrating
242,N12[C@@H]([C@@H](NC([C@H](c3ccccc3)C(=O)O)=O)[C-]2=O)SC([C@@H]1C(=O)O)(C)C,penetrating
243,N(C(NCCCl)=O)(CCCl)N=O,penetrating
244,N12[C@H]([C@@H](NC([C@H](C=3CC=CCC3)N)=O)C1=O)SCC(=C2C(O)=O)C,non-penetrating
245,C1([C@H]([C@H](NC(C(Cl)Cl)=O)CO)O)CCC([N+](=O)=[O-])C[CH+]1,penetrating
246,c12c(nccc1N[C@@H](CCCN(CC)CC)C)cc(Cl)cc2,penetrating
247,c12c(cc(Cl)c(c1)S(N)(=O)=O)N=CNS2(=O)=O,non-penetrating
248,c1(c(cc(N)c(c1)Cl)OC)C(N[C@@H]1[C@H](C[N@@](CCCOc2ccc(F)cc2)CC1)OC)=O,penetrating
249,n1(c2c(c(nc(n2)Cl)N)nc1)[C@@H]1O[C@H](CO)C(C1)O,penetrating
250,C(c1ccccc1)([C+]1CCCCC1)(C(O[C@@H]1C2CC[N+](C1)(C)CC2)=O)O,non-penetrating
251,n1(c2c(nc3c1cccc3)cc(Nc1ccc(Cl)cc1)c(\c2)=N/C(C)C)c1ccc(Cl)cc1,non-penetrating
252,N1(c2c(CCc3c1cccc3)ccc(c2)Cl)CCCN(C)C,penetrating
253,c12c3c([C@@H](NC(C)=O)CCc2cc(c(c1OC)OC)OC)cc(=O)c(cc3)OC,non-penetrating
254,c12c(oc(C(=O)O)cc2=O)cccc1[O-]CC(COc1c2c(oc(C(=O)O)cc2=O)ccc1)O,non-penetrating
255,C1([C@@H](CON1)N)=O,penetrating
256,[c-]12c(nc[n+]1COC(CO)CO)c(=[O-])[nH]c(n2)N,penetrating
257,c12c(cc(Cl)c(c1)S(N)(=O)=O)NCNS2(=O)=O,non-penetrating
258,C(NO)(N)=O,penetrating
259,[N+]1([C@H]2CC(OC([C@H](c3ccccc3)CO)=O)C[C@@H]1CC2)(C(C)C)C,non-penetrating
260,c1(C(NN)=O)ccncc1,penetrating
261,c1([C@]2(O[C@H](COc3ccc(N4CCN(c5ccc(n6c(n([C@@H](CC)C)nc6)=O)cc5)CC4)cc3)CO2)Cn2cncn2)c(cc(Cl)cc1)Cl,non-penetrating
262,C1([C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)N)CO)[C@@H](C[C@@H]([C@H]1O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CN)N)N)O,non-penetrating
263,c1([C@@]2(O[C@@H](COc3ccc(N4CCN(C(C)=O)CC4)cc3)CO2)Cn2ccnc2)c(cc(Cl)cc1)Cl,non-penetrating
264,c1(cc(ccc1)[C@@H](C(O)=O)C)C(c1ccccc1)=O,penetrating
265,n12c([C@H](C(O)=O)CC2)ccc1C(c1ccccc1)=O,non-penetrating
266,c12c3c(N4CCN(C)CC4)c(F)cc1c(c(C(O)=O)cn2[C@@H](C)CO3)=O,penetrating
267,O[C@@H]([C@@H]([C@@H](CO)O)O)[C@@H](CO)O,non-penetrating
268,[C+](c1ccccc1)(c1ccccc1)(C(O[C@@H]1C[N+](CCC1)(C)C)=O)O,non-penetrating
269,c1(cc(ccc1)O)[C@H]([C@H](C)N)O,non-penetrating
270,c12c(ncc(n1)CN(c1ccc(C(N[C@@H](CCC(O)=O)C(O)=O)=O)cc1)C)nc(N)nc2N,non-penetrating
271,c1(ccc(CCOC)cc1)OC[C@@H](CNC(C)C)O,penetrating
272,n1(c(cnc1C)[N+](=O)=[O-])CCO,penetrating
273,C1=2[C@H]([C@H]3[C@]([C@@](C#CC)(O)CC3)(C)C[C@@H]1c1ccc(N(C)C)cc1)CCC=1C2CCC(C1)=O,non-penetrating
274,C1[C@@H]2[C@](C(=C3C(c4c(ccc(c4C[C@@H]13)N(C)C)O)=O)O)(C(C(C(N)=O)=C([C@H]2N(C)C)O)=O)O,penetrating
275,c1(C(NCCN2CCOCC2)=O)ccc(Cl)cc1,penetrating
276,C1(c2c(Oc3c1cccc3)cccc2)C(OCC[N+](C(C)C)(C(C)C)C)=O,non-penetrating
277,c1(cnccn1)C(N)=O,penetrating
278,c1(OC(N(C)C)=O)c[n+](ccc1)C,penetrating
279,c1(c2ccc(Cl)cc2)c(nc(N)nc1N)CC,penetrating
280,c12c([C@H]([C@H]3[N@@]4C[C@H](C=C)[C@H](C3)CC4)O)ccnc1ccc(c2)OC,non-penetrating
281,n1([C@@H]2O[C@H](CO)[C@H]([C@H]2O)O)nc(C(N)=O)cn1,penetrating
282,C([C@@H](C[C@@H]([C@H](Cc1ccccc1)NC(OCc1cncs1)=O)O)NC([C@@H](NC(N(Cc1nc(C(C)C)sc1)C)=O)C(C)C)=O)c1ccccc1,non-penetrating
283,C1[N@]([C@@H](C[C@@H]2CCCC[C@H]12)C(NC(C)(C)C)=O)C[C@H]([C@H](Cc1ccccc1)NC([C@@H](NC(c1nc2c(cccc2)cc1)=O)CC(N)=O)=O)O,non-penetrating
284,C(C(F)(F)F)(C(F)(F)F)OCF,penetrating
285,C1(C(C(C(I)[C-](C1I)NC(C)=O)C(=O)O)I)NC(C)=O,non-penetrating
286,c1([C@@H](CNC(C)C)O)ccc(NS(C)(=O)=O)cc1,penetrating
287,n1([C@@H]2O[C@H](CO)C=C2)c([nH]c(=O)c(c1)C)=O,penetrating
288,O([C@@H]1[C@]([C@H](C)O[C@H]1O[C@H]1[C@@H]([C@H]([C@H](NC(N)=[NH2])[C@H]([C@@H]1O)O)O)NC(N)=[NH2])(C=O)O)[C@H]1[C@H]([C@@H]([C@@H](O)[C@@H](O1)CO)O)NC,non-penetrating
289,c1(S(Nc2ncccn2)(=O)=O)ccc(N)cc1,penetrating
290,c1(S(Nc2c(c(C)no2)C)(=O)=O)ccc(N)cc1,penetrating
291,c1(S(Nc2cc(C)on2)(=O)=O)ccc(N)cc1,penetrating
292,c12c(c(c3CCCCc3n1)N)cccc2,penetrating
293,C(=C(/c1ccccc1)CC)(\c1ccc(OCCN(C)C)cc1)c1ccccc1,penetrating
294,c12C(c3ccccc3)=N[C@@H](O)C(N(c1ccc(c2)Cl)C)=O,penetrating
295,N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O,penetrating
296,c12c(c(n3Cc4c(c3c2)nc2ccc(c(c2c4)CN(C)C)O)=O)COC([C@@]1(CC)O)=O,penetrating
297,n1([C@@H]2O[C@H](CO)CC2)c(nc(N)cc1)=O,penetrating
298,c12c(noc1cccc2)CS(N)(=O)=O,penetrating
299,C(=O)(O)[C@@H]1[C@@H]2O[C@@](C[C@H]1O)(O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@@H](O)CC(=O)O[C@H](C)[C@H](C)[C@@H]([C@H](C=CC=CC=CC=CC=CC=CC=C[C@@H](C2)O[C@@H]1[C@@H](O)[C@H](N)[C@H]([C@@H](O1)C)O)C)O,non-penetrating
300,C(=O)N1c2c(NC[C@H]1CNc1ccc(cc1)C(N[C@@H](CCC(=O)[O-])C([O-])=O)=O)nc(nc2O)N,penetrating
301,[N-]12[C@H](SCC(=C1C(=O)[O-])C[n+]1ccccc1)[C@@H](C2=O)CC(\C(c1csc(n1)N)=N/OC(C(=O)O)(C)C)=O,penetrating
302,c1cccc(c1)C[C@H](C)N,penetrating
303,Nc1c(F)cnc(n1)O,penetrating
304,C1CCCC2(C1)O[C@H](CO2)CNC(N)=[NH2],non-penetrating
305,O=C(N(CCCl)N=O)NC1CCCCC1,penetrating
306,C(S([O-])(=O)=O)CS,non-penetrating
307,O1[C@H]([C@H](NC(N(N=O)C)=O)[C@H]([C@@H]([C@H]1CO)O)O)O,non-penetrating
308,O=C1[C@@H]2[C@H](c3c([C@@H]([C@H]2CO1)O[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)O[C@H](OC2)c1cccs1)cc1c(c3)OCO1)c1cc(OC)c(c(c1)O)O,penetrating
309,P(=S)(N1CC1)(N1CC1)N1CC1,penetrating
310,c12cc3cc(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1C[C@]([C@H]([C@@H](O1)C)O)(C)N)Oc1c(cc([C@H]([C@H](C(N[C@H](C(N[C@H]3C(N[C@H]3C(N[C@@H]([C@@H](c4cc(c(O2)cc4)Cl)O)C(N[C@H](C(O)=O)c2cc(O)cc(O)c2c2cc3ccc2O)=O)=O)=O)=O)CC(N)=O)=O)NC([C@H](NC)CC(C)C)=O)O)cc1)Cl,non-penetrating
311,n1cnc2c(c1N)ncn2[C@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O,penetrating
312,CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F,penetrating
313,c1(NCCSCc2oc(cc2)CN(C)C)[nH]cc(c1N(=O)=O)Cc1ccccc1,penetrating
314,c12c(C(N(Cc3n1cnc3c1noc(n1)C(CO)(CO)C)C)=O)c(ccc2)Cl,non-penetrating
315,Cc1nc(sc1)\[NH]=C(\N)N,penetrating
316,c12c(C(N(Cc3n1cnc3c1noc(n1)C(O)(C)C)C)=O)c(ccc2)Cl,non-penetrating
317,C1C(CCN(C1)C(NC1CCCCC1)=S)c1c[nH]cn1,penetrating
318,C([C@@](C(O)=O)(NN)C)c1cc(c(O)cc1)O,non-penetrating
319,c1(ccc(O)c(c1)O)CCN,non-penetrating
320,c1(c(ccc(c1)C[C@@H](C(O)=O)N)O)O,penetrating
321,c12c(c(cc(n2)C(F)(F)F)[C@@H]([C@H]2CCCCN2)O)cccc1C(F)(F)F,penetrating
322,c12c3c(N4CCN(C)CC4)c(F)c(c1c(ccn2[C@H](C)CO3)=O)C(O)=O,penetrating
323,c1(ccc2C(=NC[C@@H](N(C)c2c1)CNC(c1ccc(cc1)C)=O)c1ccc(cc1)F)C,penetrating
324,C1C(C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](C[C@@H]1O)([C@H](CC2)C(CO)=O)C=O)C)=O,non-penetrating
325,C[N@]1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c31,penetrating
326,c1ccc2c(c1)n(c(n2)NC1CCN(CC1)CCc1ccc(cc1)OC)Cc1ccc(cc1)F,non-penetrating
327,c1(cc(c(cc1)Cl)Cl)CC(N1CCCC[C@H]1CN1CCCC1)=O,penetrating
328,c1(cc(c(cc1)Cl)Cl)CC(N1[C@@H](c2c(CC1)cccc2)CN1CCCC1)=O,penetrating
329,c1(ccc(cc1)C(F)(F)F)CC(N1[C@@H](CCCC1)CN1CCCC1)=O,penetrating
330,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)scc2)CN1CCCC1)=O,penetrating
331,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)[nH]cn2)CN1CCCC1)=O,non-penetrating
332,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)ccs2)CN1CCCC1)=O,penetrating
333,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](CN2CCCC2)CC(CC1)(C)C)=O,penetrating
334,CC(C)(C(O)=O)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1,non-penetrating
335,c1c(ccc([C@@H](c2ccccc2)N2CCN(CC2)CCOCC(=O)O)c1)Cl,non-penetrating
336,c1(c(cc2c(c1)n(cc(c2=O)C(O)=O)C1CC1)F)N1CCNCC1,non-penetrating
337,C1C(C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](C[C@H]1O)([C@H](CC2)C(CO)=O)C)C)=O,non-penetrating
338,C1C(C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](C[C@@H]1O)([C@](CC2)(C(CO)=O)O)C)C)=O,non-penetrating
339,c1cn(CCO)c(CC)c(O)c1=O,non-penetrating
340,c1cn(CCCCO)c(CC)c(O)c1=O,non-penetrating
341,c1cn(c(c(c1=O)O)C)C,penetrating
342,c1cn(CC)c(c(c1=O)O)C,penetrating
343,c1cn(CCCC)c(C)c(O)c1=O,penetrating
344,c1cn(CCCCCC)c(C)c(O)c1=O,penetrating
345,c1cn(CCCCC)c(C)c(O)c1=O,penetrating
346,c1cn(CCCO)c(C)c(O)c1=O,non-penetrating
347,c1cn(CC)c(CC)c(c1=O)O,penetrating
348,C[C@]12c3c(C[C@H]([C@H]1C)[N@](CC2)CC1CC1)ccc(c3)O,penetrating
349,CN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)c1ccc(F)cc1,non-penetrating
350,O(C(c1ccccc1)c1ccccc1)CCN(C)C,penetrating
351,CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1,penetrating
352,c1ccc([C@H](C[N@]2CC[C@H](C2)O)N(C(Cc2ccccc2N)=O)C)cc1,non-penetrating
353,c1(c(cc2c(n1)n(cc(c2=O)C(O)=O)CC)F)N1CCNCC1,non-penetrating
354,c1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C,penetrating
355,CN1CCN(CC1)c1c(F)cc2c(=O)c(cn(CCF)c2c1F)C(O)=O,non-penetrating
356,OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1,penetrating
357,C(=O)(O)c1c(NCc2ccco2)cc(c(c1)S(N)(=O)=O)Cl,non-penetrating
358,c1(cc(c(cc1)Cl)Cl)CC(N1[C@@H](CN2CCCC2)CN(CC1)C(=O)C)=O,penetrating
359,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)occ2)CN1CCCC1)=O,penetrating
360,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN(CC1)C(=O)OC)CN1CCCC1)=O,penetrating
361,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN(CC1)C(=O)OCC)CN1CCCC1)=O,penetrating
362,c1(CC(N2[C@H](CN(CC2)C(=O)OCCC)CN2CCCC2)=O)cc(c(cc1)Cl)Cl,penetrating
363,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](c2c(CC1)occ2)C[N@@]1C[C@@H](CC1)O)=O,penetrating
364,c1(ccc(c(c1)Cl)Cl)CC(=O)N1[C@H](CN(C(=O)C)CC1)C[N@@]1C[C@H](O)CC1,non-penetrating
365,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(C(F)(F)F)cc1,non-penetrating
366,c1(ccc(cc1)SC)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O,non-penetrating
367,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)cc(cc(c1)F)F,non-penetrating
368,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)cc(ccc1)OC,non-penetrating
369,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(N(=O)=O)cc1,non-penetrating
370,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](C2)O)=O)ccc(OC)cc1,non-penetrating
371,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)cc(ccc1)N(=O)=O,non-penetrating
372,c1(ccccc1)CC(N1[C@H](CN(CC1)C(=O)C)C[N@]1CC[C@H](C1)O)=O,non-penetrating
373,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc([S@](=O)C)cc1,non-penetrating
374,c1(CC(N2[C@H](CN(CC2)C(=O)C)C[N@]2CC[C@H](O)C2)=O)ccc(S(=O)(=O)C)cc1,non-penetrating
375,CC(C)[C@@H](N(C)C(=O)Cc1ccc(c(c1)Cl)Cl)CN1CCCC1,penetrating
376,c1(ccccc1)[C@H](CN1CCCC1)N(C(=O)Cc1ccc(c(c1)Cl)Cl)C,penetrating
377,CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc1cc(C)on1,non-penetrating
378,c1cc2c(cc1O)[C@]13[C@@H]([C@@H](C2)[N@@](CC=C)CC3)CCCC1,penetrating
379,CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN[C@H](C)C3)c(F)c12,non-penetrating
380,CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1,non-penetrating
381,C1Cc2c(\C(c3c1cc(cc3)Cl)=C1/CCN(CC1)C(=O)OCC)nccc2,non-penetrating
382,CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc1ncc(C)s1,non-penetrating
383,c12[C@@]34[C@H]5[C@@H]([N@](CC=C)CC4)Cc2ccc(c1O[C@@H]3[C@@H](O)C=C5)O,penetrating
384,c12[C@@]34[C@]5([C@@H]([N@](CC6CC6)CC4)Cc2ccc(c1O[C@@H]3C(=O)CC5)O)O,penetrating
385,c1(c(cc2c(c1)n(cc(c2=O)C(O)=O)CC)F)N1CCNCC1,non-penetrating
386,CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1,non-penetrating
387,c12c(Sc3c(N1CCCN1CCN(CC1)CCO)cc(cc3)Cl)cccc2,penetrating
388,c1ccc2c(c1)C(=C(N(S2(=O)=O)C)C(Nc1ncccc1)=O)O,non-penetrating
389,C1[C@H]2[C@H]([C@H]3[C@]([C@@H](C(C)=O)CC3)(C)C1)CCC=1[C@@]2(CCC(C1)=O)C,penetrating
390,Oc1ccc2[nH]cc(CCCC[N@@]3CCC(=CC3)c3ccccc3)c2c1,penetrating
391,c1ccc2N([C@H](CN3CCCC3)C)c3c(ccc(C(=O)NCCC)c3)Sc2c1,penetrating
392,CN1CCN(CC1)c1c(F)cc2c(=O)c(cn3CCSc1c23)C(O)=O,non-penetrating
393,CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1,non-penetrating
394,c1(ccc(c(c1)Cl)Cl)CC(=O)N1[C@H](C[N@@](C)CC1)CN1CCCC1,penetrating
395,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN2CCCC2)c2n(CC1)ccn2)=O,penetrating
396,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[C@]2(CC1)NC(NC2=O)=O)CN1CCCC1)=O,non-penetrating
397,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[C@]2(CC1)C(NC(N2)=O)=O)CN1CCCC1)=O,non-penetrating
398,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2n(CC1)ccn2)=O,non-penetrating
399,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](CN2CCCC2)c2n(CC1)ncn2)=O,penetrating
400,c1(ccc(c(c1)Cl)Cl)CC(N1[C@@H](C[N@@]2C[C@@H](CC2)O)C[N@](CC1)CCO)=O,non-penetrating
401,c1(ccc(c(c1)Cl)Cl)CC(N1[C@H](C[N@@]2C[C@@H](CC2)O)c2c(CC1)[nH]cn2)=O,non-penetrating
402,c1ccc2nc(c(c(C(N[C@@H](CC)c3ccccc3)=O)c2c1)O)c1ccccc1,penetrating
403,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(nc2cc1)c1ccccc1)OCCCN(C)C,penetrating
404,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(nc2cc1)c1ccccc1)OCC(O)=O,non-penetrating
405,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(c3ccccc3)nc2cc1)OCCCC(O)=O,non-penetrating
406,c1ccc2c(c(C(N[C@@H](CC)c3ccccc3)=O)c(OCCNC(Cc3c(cccc3)C(=O)O)=O)c(c3ccccc3)n2)c1,non-penetrating
407,c1cc2c(c(OCCNC(Cc3ncccc3)=O)c(c3ccccc3)nc2cc1)C(N[C@@H](CC)c1ccccc1)=O,non-penetrating
408,c1cc2c(c(c(c3ccccc3)nc2cc1)OCCNC([C@@H]1CCCN1)=O)C(=O)N[C@@H](CC)c1ccccc1,non-penetrating
409,c1cc2c(C(N[C@@H](CC)c3ccccc3)=O)c(c(nc2cc1)c1ccccc1)Cn1cncc1,non-penetrating
410,c1(c(c(c2c(c1F)n(cc(c2=O)C(O)=O)C1CC1)N)F)N1C[C@@H](N[C@@H](C1)C)C,non-penetrating
411,CCNCc1c(CSC)cnc(C)c1O,penetrating
412,CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc1ccccn1,non-penetrating
413,CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1,non-penetrating
414,C1C(C=C2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@H](CC2)O)C)C)=O,penetrating
415,C1CC[C@H]([C@@H](N(C(Cc2ccc(c(c2)Cl)Cl)=O)C)C1)N1CCCC1,penetrating