smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)[nH+]c2c1ccc1c2ccc2c(N[C@@H](C)CCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663767	552506273	/nfs/dbraw/zinc/50/62/73/552506273.db2.gz	CKCJECFVTUNGND-WMPKNSHKSA-N	4	2	570.870	8.398	40	5		KKBBLP
CC[NH+](CC)CCSCCCNc1cc(C)[nH+]c2c1ccc1c2ccc2c(NCCCSCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663765	552506290	/nfs/dbraw/zinc/50/62/90/552506290.db2.gz	SPUXQIPVGJCOCT-UHFFFAOYSA-N	4	2	635.004	8.307	40	5		KKBBLP
CC[NH+](CC)CCSCCCNc1cc(C)nc2c1ccc1c2ccc2c(NCCCSCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663765	552506291	/nfs/dbraw/zinc/50/62/91/552506291.db2.gz	SPUXQIPVGJCOCT-UHFFFAOYSA-N	3	2	635.004	8.307	40	5		KKBBLP
CC[NH+](CC)CCCNc1cc(C)nc2c1ccc1c2ccc2c(NCCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000031959780	553862359	/nfs/dbraw/zinc/86/23/59/553862359.db2.gz	YSIDWZOJLWGBAN-UHFFFAOYSA-N	3	2	514.762	6.841	40	5		KKBBLP
CC[NH+](CC)CCCNc1cc(C)[nH+]c2c1ccc1c2ccc2c(NCCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000031959780	553862354	/nfs/dbraw/zinc/86/23/54/553862354.db2.gz	YSIDWZOJLWGBAN-UHFFFAOYSA-N	4	2	514.762	6.841	40	5		KKBBLP
O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)cc1[N+](=O)[O-]	ZINC000005011932	552491921	/nfs/dbraw/zinc/49/19/21/552491921.db2.gz	YUOOWNPVFAMPNZ-UHFFFAOYSA-N	2	2	521.493	6.186	40	5		KKBBLP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCC(O)CNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)nc43)c2n1	ZINC000001611255	551685874	/nfs/dbraw/zinc/68/58/74/551685874.db2.gz	QVQIYYZXMNJTAG-UHFFFAOYSA-N	2	2	575.456	6.088	40	5		KKBBLP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)nc43)c2n1	ZINC000005663617	552506269	/nfs/dbraw/zinc/50/62/69/552506269.db2.gz	OGBXXNAUPQNXTC-UHFFFAOYSA-N	2	2	601.538	8.288	40	5		KKBBLP
CC[NH+](CC)CCC[C@H](C)Nc1cc(C)[nH+]c2c1ccc1c2ccc2c(N[C@@H](C)CCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663769	552506285	/nfs/dbraw/zinc/50/62/85/552506285.db2.gz	CKCJECFVTUNGND-UIOOFZCWSA-N	4	2	570.870	8.398	40	5		KKBBLP
CC[NH+](CC)CCC[C@H](C)Nc1cc(C)nc2c1ccc1c2ccc2c(N[C@@H](C)CCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663769	552506287	/nfs/dbraw/zinc/50/62/87/552506287.db2.gz	CKCJECFVTUNGND-UIOOFZCWSA-N	3	2	570.870	8.398	40	5		KKBBLP
Nc1ccc2c(c1)[nH+]c1ccccc1c2SCC(=O)Nc1ccccc1-c1ccccc1NC(=O)CSc1c2ccccc2[nH+]c2cc(N)ccc21	ZINC000082185531	553675109	/nfs/dbraw/zinc/67/51/09/553675109.db2.gz	FLFZOHFFQPTMRT-UHFFFAOYSA-N	2	2	716.892	9.382	40	5		KKBBLP
CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)[nH+]c2c1ccc1c2ccc2c(N[C@H](C)CCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663771	552506245	/nfs/dbraw/zinc/50/62/45/552506245.db2.gz	CKCJECFVTUNGND-CLJLJLNGSA-N	4	2	570.870	8.398	40	5		KKBBLP
CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)nc2c1ccc1c2ccc2c(N[C@H](C)CCC[NH+](CC)CC)cc(C)[nH+]c21	ZINC000005663771	552506246	/nfs/dbraw/zinc/50/62/46/552506246.db2.gz	CKCJECFVTUNGND-CLJLJLNGSA-N	3	2	570.870	8.398	40	5		KKBBLP
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CCCC[NH2+]CCCNc3c4ccc(Cl)cc4[nH+]c4ccc(OC)nc43)c2n1	ZINC000150422613	571488484	/nfs/dbraw/zinc/48/84/84/571488484.db2.gz	XVYPVFKAYXSAQZ-UHFFFAOYSA-N	4	2	687.676	7.467	40	5		KKBBLP
CC(C)Oc1cccc(C(=O)C[N@@H+]2CCC[C@@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000200049090	571569190	/nfs/dbraw/zinc/56/91/90/571569190.db2.gz	IVKFRDOJMJDKJU-PXODCTBUSA-N	2	2	620.685	8.340	40	5		KKBBLP
CC(C)Oc1cccc(C(=O)C[N@H+]2CCC[C@@](CC[N+]34CCC(c5ccccc5)(CC3)CC4)(c3ccc(Cl)c(Cl)c3)C2)c1	ZINC000200049090	571569191	/nfs/dbraw/zinc/56/91/91/571569191.db2.gz	IVKFRDOJMJDKJU-PXODCTBUSA-N	2	2	620.685	8.340	40	5		KKBBLP
C=C([NH2+]CC[N+](CC)(CC)Cc1ccccc1Cl)C(=C)N(C)CC[N+](CC)(CC)Cc1ccccc1Cl	ZINC000105343721	571403344	/nfs/dbraw/zinc/40/33/44/571403344.db2.gz	BQOUQQNSWHNDFK-UHFFFAOYSA-N	3	2	547.659	6.956	40	5		KKBBLP